2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide

C20H26N4O3S — CID 4605485

IUPAC2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
SMILESCC(=O)NCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H26N4O3S/c1-14(25)21-11-12-24-19(27)16-9-5-6-10-17(16)23-20(24)28-13-18(26)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyLQORVAJHZPWZGY-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.07
Rot. Bonds7

About 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide

2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide (PubChem CID 4605485) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
PubChem CID4605485
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide
SMILESCC(=O)NCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C20H26N4O3S/c1-14(25)21-11-12-24-19(27)16-9-5-6-10-17(16)23-20(24)28-13-18(26)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyLQORVAJHZPWZGY-UHFFFAOYSA-N
XLogP2.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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ME0328
CID 135566764
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
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3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
Bis-quinazolinone 5
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Ethyl 2-[3-(cyclohexylmethyl)-4-oxoquinazolin-2-yl]sulfanylpropanoate
CID 2959700
N-cyclohexyl-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]acetamide
CID 135408823
3-(4-oxo-3H-quinazolin-2-yl)-N-[(1R)-1-phenylethyl]propanamide
CID 136229577
3-Cyclohexyl-2-methylsulfanylquinazolin-4-one
CID 866369
3-Methyl-2-[(2-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020007
3-Methyl-2-[(3-methylbenzyl)sulfanyl]-4(3H)-quinazolinone
CID 17020009
2-(Prop-2-en-1-ylsulfanyl)-3,4-dihydroquinazolin-4-one
CID 135404691

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide?
The IUPAC name of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide (CID 4605485) is 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide.
What is the SMILES notation for 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide?
The canonical SMILES for 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide is CC(=O)NCCn1c(SCC(=O)NC2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide?
The InChIKey is LQORVAJHZPWZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14(25)21-11-12-24-19(27)16-9-5-6-10-17(16)23-20(24)28-13-18(26)22-15-7-3-2-4-8-15/h5-6,9-10,15H,2-4,7-8,11-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide?
2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide has a molecular weight of 402.52 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-acetamidoethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexylacetamide is sourced from PubChem (CID 4605485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).